4-N-[(Z)-(3-iodophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

Formula:C24H18N6OF3I Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-[(Z)-(3-iodophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-[(Z)-(3-iodophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
MolecularFormula	C24H18N6OF3I
Smiles	FC(COc1nc(N(c2ccccc2)c2ccccc2)nc(N/N=C\c2cccc(I)c2)n1)(F)F
InChI	InChI=1S/C24H18F3IN6O/c25-24(26,27)16-35-23-31-21(33-29-15-17-8-7-9-18(28)14-17)30-22(32-23)34(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-15H,16H2,(H,30,31,32,33)
InChIK	YXVGZUPKXKWIDD-UHFFFAOYSA-N
TotalMolweight	590.342
Molweight	590.342
MonoisotopicMass	590.053891
CLogP	8.1146
CLogS	-9.585
H Acceptors	7
H Donors	1
TotalSurfaceArea	374.84
Relative PSA	0.18523
PolarSurfaceArea	75.53
Druglikeness	-3.7251
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	10
Aromatic Nitrogens	3
StereoCon

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1 - 4-N-[(Z)-(3-iodophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine | 2 - 4-N-[(Z)-(3-iodophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

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